CodeOS9
Name8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SynonymsLMD-009
Identifier8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
FormulaC29 H33 N3 O3
Molecular Weight471.591
SMILESCOc1ccccc1Oc2cccc(c2)CN3CCC4(CC3)C(=O)NCN4CCc5ccccc5
PubChem91032188
Formal Charge0
Total Atoms68
Total Chiral Atoms0
Total Bonds72
Total Aromatic Bonds18
Networks1
 missing image

This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8KFX A Protein Chemokine CCR8 Homo Sapiens LMD-009 - Gi1/Beta1/Gamma2 2.96 2024-02-07 10.1126/sciadv.adj7500

A 2D representation of the interactions of OS9 in 8KFX
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:L38 R:R:Y42 5.86 0 No Yes 5 7 2 1
R:R:T92 R:R:Y42 3.75 0 No Yes 7 7 2 1
R:R:I287 R:R:Y42 3.63 4 No Yes 4 7 2 1
R:R:F290 R:R:Y42 7.22 4 Yes Yes 7 7 2 1
L:L:?1 R:R:Y42 4.13 4 Yes Yes 0 7 0 1
R:R:F84 R:R:Y113 15.47 4 Yes Yes 6 6 2 1
R:R:F290 R:R:F84 6.43 4 Yes Yes 7 6 2 2
R:R:F90 R:R:V109 5.24 0 No No 6 4 2 1
R:R:Q91 R:R:Y94 7.89 0 No No 5 5 1 2
R:R:L95 R:R:Q91 3.99 0 No No 5 5 2 1
L:L:?1 R:R:Q91 28.11 4 Yes No 0 5 0 1
L:L:?1 R:R:V109 7.86 4 Yes No 0 4 0 1
R:R:S110 R:R:Y172 13.99 0 No Yes 6 4 2 1
R:R:Y113 R:R:Y114 5.96 4 Yes Yes 6 3 1 1
R:R:E286 R:R:Y113 5.61 4 No Yes 5 6 1 1
L:L:?1 R:R:Y113 15.13 4 Yes Yes 0 6 0 1
R:R:L168 R:R:Y114 17.58 0 No Yes 4 3 2 1
R:R:Y114 R:R:Y172 7.94 4 Yes Yes 3 4 1 1
R:R:M202 R:R:Y114 5.99 4 No Yes 4 3 2 1
L:L:?1 R:R:Y114 3.44 4 Yes Yes 0 3 0 1
R:R:F117 R:R:M202 6.22 4 Yes No 7 4 2 2
R:R:F117 R:R:F254 3.22 4 Yes Yes 7 6 2 1
R:R:S185 R:R:Y172 7.63 0 No Yes 4 4 2 1
L:L:?1 R:R:Y172 8.94 4 Yes Yes 0 4 0 1
R:R:L258 R:R:N199 6.87 0 No No 5 4 1 2
R:R:F254 R:R:W251 6.01 4 Yes Yes 6 8 1 2
R:R:S289 R:R:W251 6.18 4 No Yes 7 8 2 2
R:R:P253 R:R:T285 3.5 0 No Yes 9 7 2 1
R:R:F254 R:R:N255 3.62 4 Yes No 6 8 1 2
R:R:F254 R:R:S289 14.53 4 Yes No 6 7 1 2
L:L:?1 R:R:F254 11.43 4 Yes Yes 0 6 0 1
R:R:A281 R:R:V257 3.39 0 No Yes 5 4 2 1
R:R:T282 R:R:V257 3.17 4 No Yes 4 4 1 1
R:R:T285 R:R:V257 6.35 4 Yes Yes 7 4 1 1
L:L:?1 R:R:V257 4.37 4 Yes Yes 0 4 0 1
L:L:?1 R:R:L258 5.68 4 Yes No 0 5 0 1
L:L:?1 R:R:T282 6.92 4 Yes No 0 4 0 1
L:L:?1 R:R:T285 3.46 4 Yes Yes 0 7 0 1
R:R:E286 R:R:F290 9.33 4 No Yes 5 7 1 2
L:L:?1 R:R:E286 24.87 4 Yes No 0 5 0 1
R:R:F290 R:R:I287 6.28 4 Yes No 7 4 2 2
R:R:T165 R:R:Y114 2.5 0 No Yes 6 3 2 1
R:R:T261 R:R:V257 1.59 0 No Yes 4 4 2 1
R:R:T285 R:R:V284 1.59 4 Yes No 7 5 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.36
Average Nodes In Shell35.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub7.00
Average Interaction Strength10.36
Average Nodes In Shell35.00
Average Hubs In Shell12.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell40.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)